CID 53404099

4-(2,4-dichlorophenyl)butan-1-amine

Structural Information

Molecular Formula
C10H13Cl2N
SMILES
C1=CC(=C(C=C1Cl)Cl)CCCCN
InChI
InChI=1S/C10H13Cl2N/c11-9-5-4-8(10(12)7-9)3-1-2-6-13/h4-5,7H,1-3,6,13H2
InChIKey
MSTSHIHUFNUUMJ-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.04251 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04979 145.7
[M+Na]+ 240.03173 154.9
[M-H]- 216.03523 148.1
[M+NH4]+ 235.07633 165.5
[M+K]+ 256.00567 148.7
[M+H-H2O]+ 200.03977 141.7
[M+HCOO]- 262.04071 160.6
[M+CH3COO]- 276.05636 189.3
[M+Na-2H]- 238.01718 149.8
[M]+ 217.04196 147.9
[M]- 217.04306 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe